A density functional theory study of arsenic immobilization by the Al(III)-modified zeolite clinoptilolite

Awuah, Joel; Dzade, Nelson Y; Tia, Richard; Adei, Evans; Kwakye-Awuah, Bright; Catlow, C Richard A; de Leeuw, Nora H

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A density functional theory study of arsenic immobilization by the Al(III)-modified zeolite clinoptilolite

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posted on 2016-01-01, 00:00 authored by Joel Awuah, Nelson Y Dzade, Richard Tia, Evans Adei, Bright Kwakye-Awuah, C Richard A Catlow, Nora H de Leeuw

We present density functional theory calculations of the adsorption of arsenic acid (AsO(OH)₃) and arsenous acid (As(OH)₃) on the Al(iii)-modified natural zeolite clinoptilolite under anhydrous and hydrated conditions.

History

Journal

Physical Chemistry Chemical Physics

Volume

18

Issue

16

Pagination

11297 - 11305

Publisher

Royal Society of Chemistry

Location

Cambridge, Eng.

Publisher DOI

https://doi.org/10.1039/c6cp00190d

ISSN

1463-9076

eISSN

1463-9084

Language

English

Author URL

http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000374786300070&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=a045e4b2bb1f2b747c68c720ec8913b7

Publication classification

C1.1 Refereed article in a scholarly journal

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A density functional theory study of arsenic immobilization by the Al(III)-modified zeolite clinoptilolite

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